![(2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid structure](/static/products/956/956046-13-2.png)
(2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid
TL;DR: (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid (CAS 956046-13-2) is a chemical compound with molecular formula C26H33NO6 and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylpentanoic acid
Also Known As: (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid, N-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-isoleucine, (2S,3R)-2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylpentanoic acid
| Molecular Formula | C26H33NO6 |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 5.00164 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.23077 |
| Heavy Atoms | 33 |
| Complexity | 1274.1351 |
Chemical Identifiers
| CAS Number | 956046-13-2 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CCC1=C(C2=CC3=C(C(=C2OC1=O)C)OC=C3C(C)(C)C)C |
Product Overview
(2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid (CAS 956046-13-2), with molecular formula C26H33NO6 and molecular weight 455.23 g/mol. IUPAC: (2S,3R)-2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylpentanoic acid.
Chemical Property Profile of (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid
Property Insights of (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid
The XLogP value of 5.00164 indicates that (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid?
The CAS number of (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid is 956046-13-2.
What is the molecular formula of (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid?
The molecular formula of (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid is C26H33NO6.
What is the molecular weight of (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid?
The molecular weight of (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid is 455.23 g/mol.
Where can I buy (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid?
You can request a quote for (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-2-(3-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.